N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide

C13H18N2O3 — CID 7033220

IUPACN'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@H](C)O)c(C)c1
InChIInChI=1S/C13H18N2O3/c1-8-4-5-11(9(2)6-8)15-13(18)12(17)14-7-10(3)16/h4-6,10,16H,7H2,1-3H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyIQSBTIKMOSQPAT-JTQLQIEISA-N
MW250.30 g/mol
LogP0.74
Rot. Bonds3

About N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide

N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide (PubChem CID 7033220) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
PubChem CID7033220
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@H](C)O)c(C)c1
InChIInChI=1S/C13H18N2O3/c1-8-4-5-11(9(2)6-8)15-13(18)12(17)14-7-10(3)16/h4-6,10,16H,7H2,1-3H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyIQSBTIKMOSQPAT-JTQLQIEISA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide
CID 108857865
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121500
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
CID 90584123

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide (CID 7033220) is N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide is Cc1ccc(NC(=O)C(=O)NC[C@H](C)O)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The InChIKey is IQSBTIKMOSQPAT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-4-5-11(9(2)6-8)15-13(18)12(17)14-7-10(3)16/h4-6,10,16H,7H2,1-3H3,(H,14,17)(H,15,18)/t10-/m0/s1.
What are the key properties of N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 7033220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).